ethenylcyclohexane;1-ethenyl-2-methylbenzene

C17H24 — CID 174828850

IUPACethenylcyclohexane;1-ethenyl-2-methylbenzene
SMILESC=CC1CCCCC1.C=Cc1ccccc1C
InChIInChI=1S/C9H10.C8H14/c1-3-9-7-5-4-6-8(9)2;1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2,8H,1,3-7H2
InChIKeyBJVPFGHXRJOVDT-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.39
Rot. Bonds2

About ethenylcyclohexane;1-ethenyl-2-methylbenzene

ethenylcyclohexane;1-ethenyl-2-methylbenzene (PubChem CID 174828850) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethenylcyclohexane;1-ethenyl-2-methylbenzene.

Molecular Properties

Compound Nameethenylcyclohexane;1-ethenyl-2-methylbenzene
PubChem CID174828850
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethenylcyclohexane;1-ethenyl-2-methylbenzene
SMILESC=CC1CCCCC1.C=Cc1ccccc1C
InChIInChI=1S/C9H10.C8H14/c1-3-9-7-5-4-6-8(9)2;1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2,8H,1,3-7H2
InChIKeyBJVPFGHXRJOVDT-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenylcyclohexane;1-ethenyl-2-methylbenzene?
The IUPAC name of ethenylcyclohexane;1-ethenyl-2-methylbenzene (CID 174828850) is ethenylcyclohexane;1-ethenyl-2-methylbenzene.
What is the SMILES notation for ethenylcyclohexane;1-ethenyl-2-methylbenzene?
The canonical SMILES for ethenylcyclohexane;1-ethenyl-2-methylbenzene is C=CC1CCCCC1.C=Cc1ccccc1C.
What is the InChIKey of ethenylcyclohexane;1-ethenyl-2-methylbenzene?
The InChIKey is BJVPFGHXRJOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H14/c1-3-9-7-5-4-6-8(9)2;1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;2,8H,1,3-7H2.
What are the key properties of ethenylcyclohexane;1-ethenyl-2-methylbenzene?
ethenylcyclohexane;1-ethenyl-2-methylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylcyclohexane;1-ethenyl-2-methylbenzene is sourced from PubChem (CID 174828850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).